Geometry & MOs

Info

ID:

313232

PubChem CID:

126612779

Reduced:

O3N8C33H38 (1)

Stoich.:

A3B8C33D38 (1)

Weight, g/mol:

1348.672169

ΔHf, kcal/mol:

32.7

Dipole, Da:

12.17

IP(EA), eV:

 -8.25(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-[2-[2-[3-[[1-[[(2S)-1-[[(2S)-1-[[(1S,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-24-oxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-4-[3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\NC(=O)N(C1=CC=CC(=C1)NC(=O)C=C)C2=NC=NC(=C2)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC

DOS

IR

Vibrations